<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">334608</id>
  <title nil="true"/>
  <common-name>Methyl (2e)-2-[(3-chlorophenyl)methylidene]-7-methyl-5-(4-methylsulfanylphenyl)-3-oxo-5h-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate</common-name>
  <description>Methyl (2e)-2-[(3-chlorophenyl)methylidene]-7-methyl-5-(4-methylsulfanylphenyl)-3-oxo-5h-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is a chemical compound with the formula C23H19ClN2O3S2. It has an average molecular weight of 471.00 g/mol.</description>
  <cas>612076-56-9</cas>
  <pubchem-id>16427992</pubchem-id>
  <chemical-formula>C23H19ClN2O3S2</chemical-formula>
  <weight>471</weight>
  <appearance nil="true"/>
  <melting-point nil="true"/>
  <boiling-point nil="true"/>
  <density nil="true"/>
  <solubility nil="true"/>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure nil="true"/>
  <target nil="true"/>
  <mechanism-of-toxicity nil="true"/>
  <metabolism nil="true"/>
  <toxicity nil="true"/>
  <lethaldose nil="true"/>
  <carcinogenicity nil="true"/>
  <use-source nil="true"/>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2026-08-30T16:22:34Z</created-at>
  <updated-at type="dateTime">2026-08-30T16:22:34Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id nil="true"/>
  <omim-id nil="true"/>
  <chebi-id nil="true"/>
  <biocyc-id nil="true"/>
  <ctd-id nil="true"/>
  <stitch-id nil="true"/>
  <drugbank-id nil="true"/>
  <pdb-id nil="true"/>
  <actor-id nil="true"/>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>CC1=C(C(N2C(=O)C(=CC3=CC(=CC=C3)Cl)SC2=N1)C4=CC=C(C=C4)SC)C(=O)OC</moldb-smiles>
  <moldb-formula>C23H19ClN2O3S2</moldb-formula>
  <moldb-inchi>InChI=1S/C23H19ClN2O3S2/c1-13-19(22(28)29-2)20(15-7-9-17(30-3)10-8-15)26-21(27)18(31-23(26)25-13)12-14-5-4-6-16(24)11-14/h4-12,20H,1-3H3/b18-12+</moldb-inchi>
  <moldb-inchikey>MWNRFYZXNPBGIT-LDADJPATSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">470.0525625</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>5.2</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id nil="true"/>
  <structure-image-file-name nil="true"/>
  <structure-image-content-type nil="true"/>
  <structure-image-file-size type="integer" nil="true"/>
  <structure-image-updated-at type="dateTime" nil="true"/>
  <biodb-id nil="true"/>
  <synthesis-reference nil="true"/>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM330501</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id nil="true"/>
  <iupac>Methyl (2e)-2-[(3-chlorophenyl)methylidene]-7-methyl-5-(4-methylsulfanylphenyl)-3-oxo-5h-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate</iupac>
  <moldb-polar-surface-area nil="true"/>
  <moldb-refractivity nil="true"/>
  <moldb-polarizability nil="true"/>
  <moldb-rotatable-bond-count nil="true"/>
  <moldb-acceptor-count nil="true"/>
  <moldb-donor-count nil="true"/>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic nil="true"/>
  <moldb-physiological-charge nil="true"/>
  <moldb-number-of-rings nil="true"/>
  <moldb-alogps-logp nil="true"/>
  <moldb-alogps-logs nil="true"/>
  <moldb-alogps-solubility nil="true"/>
  <kingdom>Organic compounds</kingdom>
  <superklass>Organosulfur compounds</superklass>
  <klass>Thioethers</klass>
  <subklass>Aryl thioethers</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0285085</sync-id>
  <structure-inchikey>MWNRFYZXNPBGIT-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>8040000400024000000000000800000000000000040000000200000000000000020002000000000000000000000000000800000000000004000000080000000000000200800100003000000000000000000000000000110000000480000001000000020000101000000000000000000001000010000400000008000000000000800800140002000000000000000010008010000000000000000004000000a00000000001000000000000001000000c0000000000000000400000000008020000000000010000000003000000200000000004810000000000000000040000000000400000000000000000002000002004000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAfAAAAIgAAAIABBgBgAAAAAQMGACgAAAAD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</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:36:25Z</structure-indexed-at>
</compound>
